기본 정보
- CAS
866823-73-6- 표준 SMILES
Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2- InChIKey
KMKBEESNZAPKMP-UHFFFAOYSA-N- 분자식
- C30H30O4
- 평균 분자량
- 454.6 g/mol
- 단동위원소 질량
- 454.21440943
개요
Biphenylindanone a is a member of biphenyls.
이름 및 식별자
- 우선 이름
- biphenyl-indanone A
- IUPAC
- 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
- 현지명
- 비페닐린다논A
- 영어명
- Biphenylindanone A
- 분자식
- C30H30O4
- 분자량
- 454.56
이름 및 동의어
Biphenyl-indanone ABINA cpdRefChem:9172163'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)biphenyl-4-carboxylic acidBiphenylindanone A866823-73-6BINABINA;3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic acid4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic AcidCHEMBL5930133'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)-[1,1'-biphenyl]-4-carboxylic acid
이름 더 보기
비페닐린다논ACS-203MRLSD 230BINA, >=98%3'-[[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylicacid[1,1'-Biphenyl]-4-carboxylic acid, 3'-[[(2-cyclopentyl-2,3-dihydro-6,7-diMethyl-1-oxo-1H-inden-5-yl)oxy]Methyl]-
3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic Acid; Biphenyl indanone A; MRLSD 2303'-{[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-[1,1'-biphenyl]-4-carboxylic acidBiphenylindanone A?LS-193,571GTPL3954orb1707547SCHEMBL2456715SCHEMBL29462274
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 719
물리화학적 성질
- 녹는점
- 238 · 238-241℃
- 끓는 점
- 676.9 · 676.9±55.0 °C(Predicted)
- 밀도
- 1.22 · 1.220
- 저장 조건
- Desiccate at RT
- 용해도
- 18 mg/mL · DMSO: ≥18mg/mL
- 산도 계수 (pKa)
- 4.17 · 4.17±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- InChIKey
- KMKBEESNZAPKMP-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요The metabotropic glutamate receptor 2 (mGluR2) is a Gi/o-coupled receptor which is expressed on presynaptic nerve terminals and modulates the release of neurotransmitters like glutamate and GABA. Biphenylindanone A (BINA) is a positive allosteric modulator of mGluR2, stimulating the human and rat receptors with EC50 values of 33.2 and 96 nM, respectively. It has no effect on glutamate-induced activation of other mGluR types. BINA can be used on cells, tissues, or animals. Because of its selectivity for mGluR2, robust in vivo activity, and brain penetrance, BINA can be used to elucidate the role of mGluR2 in such diverse processes as psychosis, schizophrenia, and drug addiction.
용도Biphenylindanone A is an orally active metabotropic glutamate subtype 2 receptor positive allosteric modulator.
공급사30 곳
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
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United Life Science020-82099279 18988941402 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
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